(2S)-2-acetamido-6-[2-chloroethylcarbamoyl-(phenylmethyl)amino]-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-acetamido-6-[2-chloroethylcarbamoyl-(phenylmethyl)amino]-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-acetamido-N-benzyl-6-[benzyl(2-chloroethylcarbamoyl)amino]hexanamide CAS Name: (2S)-2-acetamido-6-[[(2-chloroethylamino)-oxomethyl]-(phenylmethyl)amino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-[benzyl(2-chloroethylcarbamoyl)amino]hexanamide Traditional Name: (2S)-2-acetamido-N-benzyl-6-[benzyl(2-chloroethylcarbamoyl)amino]hexanamide Formula: C25H33ClN4O3 MolecularWeight: 473.00752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)NCCCl)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H](CCCCN(CC1=CC=CC=C1)C(=O)NCCCl)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C25H33ClN4O3/c1-20(31)29-23(24(32)28-18-21-10-4-2-5-11-21)14-8-9-17-30(25(33)27-16-15-26)19-22-12-6-3-7-13-22/h2-7,10-13,23H,8-9,14-19H2,1H3,(H,27,33)(H,28,32)(H,29,31)/t23-/m0/s1